Information card for entry 4325468

Structure parameters

• Formula: C47.5 H50 Mo N2 O3
• Calculated formula: C47.5 H50 Mo N2 O3
• Title of publication: Synthesis of Molybdenum Nitrido Complexes for Triple-Bond Metathesis of Alkynes and Nitriles
• Authors of publication: Eric S. Wiedner; Kimberley J. Gallagher; Marc J. A. Johnson; Jeff W. Kampf
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5936 - 5945
• a: 10.9987 ± 0.0016 Å
• b: 12.6721 ± 0.0018 Å
• c: 14.715 ± 0.002 Å
• α: 87.778 ± 0.002°
• β: 85.186 ± 0.002°
• γ: 78.835 ± 0.002°
• Cell volume: 2004.5 ± 0.5 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No